2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide

C15H19N3O3S — CID 18162798

IUPAC2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C15H19N3O3S/c1-2-7-16-13(19)8-17-14(20)9-18-11-5-3-4-6-12(11)22-10-15(18)21/h3-6H,2,7-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyRZCZWHHOHLBLTH-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.77
Rot. Bonds6

About 2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide

2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide (PubChem CID 18162798) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide
PubChem CID18162798
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C15H19N3O3S/c1-2-7-16-13(19)8-17-14(20)9-18-11-5-3-4-6-12(11)22-10-15(18)21/h3-6H,2,7-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyRZCZWHHOHLBLTH-UHFFFAOYSA-N
XLogP0.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methylamino)propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119430219
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 5115832
2-(3-oxo-1,4-benzothiazin-4-yl)-N-prop-2-ynylacetamide
CID 18110081
N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3262031
methyl 4-[2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]ethyl]benzoate
CID 36774416
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide
CID 18111140
7-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]heptanoic acid
CID 119227237
N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3660987
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 37393707
N-(4-bromo-2-methylphenyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]acetamide
CID 17439537
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide
CID 18120233
N-(2-morpholin-4-ylethyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3262033

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide (CID 18162798) is 2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)CN1C(=O)CSc2ccccc21.
What is the InChIKey of 2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide?
The InChIKey is RZCZWHHOHLBLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-2-7-16-13(19)8-17-14(20)9-18-11-5-3-4-6-12(11)22-10-15(18)21/h3-6H,2,7-10H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide?
2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide has a molecular weight of 321.40 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]-N-propylacetamide is sourced from PubChem (CID 18162798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).